UCSF

ZINC03047467

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 26 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.23 13.77 -7.35 1 2 0 29 356.494 5
Mid Mid (pH 6-8) 6.23 14.17 -28.29 2 2 1 30 357.502 5

Vendor Notes

Note Type Comments Provided By
melting_point 165 - 167 KeyOrganics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )